65090 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 6 7 8 9 11 11 12 12 13 14 14 7 13 8 15 10 21 15 7 9 11 8 9 12 10 10 16 13 17 14 18 19 15 20 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 7.3424 3.7702 5.5301 2 6.3961 4.6641 6.3961 4.6641 5.5301 5.5301 7.3424 3.7702 7.926 2.8641 2.8641 5.5301 7.535 3.7773 8.546 2.3284 6.0671 0.1671 0.397 1.3623 0.3865 -1.1377 -1.1377 -0.1377 -0.1377 -1.6377 0.3623 -1.4424 -1.6723 -0.6377 -1.1585 -0.1169 -2.2577 -2.0317 -2.2923 -0.6377 -1.4706 1.6723 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 5 6 6 6 7 8 11 12 14 7 13 8 15 7 9 11 8 9 12 10 10 13 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 312 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718070380000000000000000000000000000012000000030400000000000004881F000001A00000800000C04A09802300EC00006408802A8D288020208002420000888014688C80D273686351A827B63A5E0150BB98788ECFCCE20000308000840004000061000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-hydroxyfuro[3,2-g]chromen-7-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-hydroxy-7-furo[3,2-g][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-hydroxyfuro[3,2-g]chromen-7-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-hydroxyfuro[3,2-g]chromen-7-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-oxidanylfuro[3,2-g]chromen-7-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-hydroxyfuro[3,2-g]chromen-7-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JWVYQQGERKEAHW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.02660867 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H6O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.02660867 15 0 0 0 0 0 0 0 1 -1